(1R)-1-[(3aR,5R,6S,6aR)-6-[3-(dimethylamino)-2-hydroxypropoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol

C14H27NO7 — CID 11759052

IUPAC(1R)-1-[(3aR,5R,6S,6aR)-6-[3-(dimethylamino)-2-hydroxypropoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
SMILESCN(C)CC(O)CO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H](O)CO
InChIInChI=1S/C14H27NO7/c1-14(2)21-12-11(19-7-8(17)5-15(3)4)10(9(18)6-16)20-13(12)22-14/h8-13,16-18H,5-7H2,1-4H3/t8?,9-,10-,11+,12-,13-/m1/s1
InChIKeyZOLABORTYXOCAQ-ZVACVBPESA-N
MW321.37 g/mol
LogP-1.48
Rot. Bonds7

About (1R)-1-[(3aR,5R,6S,6aR)-6-[3-(dimethylamino)-2-hydroxypropoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol

(1R)-1-[(3aR,5R,6S,6aR)-6-[3-(dimethylamino)-2-hydroxypropoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol (PubChem CID 11759052) has the molecular formula C14H27NO7 and a molecular weight of 321.37 g/mol. Its IUPAC name is (1R)-1-[(3aR,5R,6S,6aR)-6-[3-(dimethylamino)-2-hydroxypropoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(3aR,5R,6S,6aR)-6-[3-(dimethylamino)-2-hydroxypropoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
PubChem CID11759052
Molecular FormulaC14H27NO7
Molecular Weight321.37 g/mol
Exact Mass321.18
IUPAC Name(1R)-1-[(3aR,5R,6S,6aR)-6-[3-(dimethylamino)-2-hydroxypropoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
SMILESCN(C)CC(O)CO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H](O)CO
InChIInChI=1S/C14H27NO7/c1-14(2)21-12-11(19-7-8(17)5-15(3)4)10(9(18)6-16)20-13(12)22-14/h8-13,16-18H,5-7H2,1-4H3/t8?,9-,10-,11+,12-,13-/m1/s1
InChIKeyZOLABORTYXOCAQ-ZVACVBPESA-N
XLogP-1.48
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (1R)-1-[(3aR,5R,6S,6aR)-6-[3-(dimethylamino)-2-hydroxypropoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[(3aR,5R,6S,6aR)-6-(2-hydroxy-3-piperidin-1-ylpropoxy)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 11035813
1-[(3aR,5R,6S,6aR)-6-(methoxymethoxy)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 135041165
[(3aS,5S,6R,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate
CID 124895572
[(3aR,5R,6S,6aR)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] methanesulfonate
CID 24903503
(1R)-1-[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 11782604
(1R)-1-[(3aR,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 6541035
1-[(3aR,5R,6R)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 51340641
(1R)-1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-[4-(4-methylpiperazin-1-yl)butoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 10317291
(1R)-1-[(3aR,5R,6S,6aR)-6-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 11729874
(1R)-1-[(3aR,5R,6R,6aR)-6-[(2S)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 11037537
1-[(3aR,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 130182424
(1R)-1-[(3aS,5R,6S,6aS)-6-[(4-ethoxyphenyl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 11877048

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3aR,5R,6S,6aR)-6-[3-(dimethylamino)-2-hydroxypropoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(3aR,5R,6S,6aR)-6-[3-(dimethylamino)-2-hydroxypropoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol (CID 11759052) is (1R)-1-[(3aR,5R,6S,6aR)-6-[3-(dimethylamino)-2-hydroxypropoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(3aR,5R,6S,6aR)-6-[3-(dimethylamino)-2-hydroxypropoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(3aR,5R,6S,6aR)-6-[3-(dimethylamino)-2-hydroxypropoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol is CN(C)CC(O)CO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H](O)CO.
What is the InChIKey of (1R)-1-[(3aR,5R,6S,6aR)-6-[3-(dimethylamino)-2-hydroxypropoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol?
The InChIKey is ZOLABORTYXOCAQ-ZVACVBPESA-N. The full InChI is InChI=1S/C14H27NO7/c1-14(2)21-12-11(19-7-8(17)5-15(3)4)10(9(18)6-16)20-13(12)22-14/h8-13,16-18H,5-7H2,1-4H3/t8?,9-,10-,11+,12-,13-/m1/s1.
What are the key properties of (1R)-1-[(3aR,5R,6S,6aR)-6-[3-(dimethylamino)-2-hydroxypropoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol?
(1R)-1-[(3aR,5R,6S,6aR)-6-[3-(dimethylamino)-2-hydroxypropoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol has a molecular weight of 321.37 g/mol, XLogP of -1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3aR,5R,6S,6aR)-6-[3-(dimethylamino)-2-hydroxypropoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol is sourced from PubChem (CID 11759052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).